Cargando…
First-Principles Calculation of (1)H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
[Image: see text] (1)H NMR spectroscopy has become an important technique for the characterization of transition-metal hydride complexes, whose metal-bound hydrides are often difficult to locate by X-ray diffraction. In this regard, the accurate prediction of (1)H NMR chemical shifts provides a usef...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7735704/ https://www.ncbi.nlm.nih.gov/pubmed/33226791 http://dx.doi.org/10.1021/acs.inorgchem.0c02753 |